methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate

C15H14O4 — CID 155685944

IUPACmethyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(C)c2cc(OC(C)=O)ccc2c1
InChIInChI=1S/C15H14O4/c1-9-6-12(15(17)18-3)7-11-4-5-13(8-14(9)11)19-10(2)16/h4-8H,1-3H3
InChIKeyYWQOEGCISFLIHE-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.86
Rot. Bonds2

About methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate

methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate (PubChem CID 155685944) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate
PubChem CID155685944
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namemethyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(C)c2cc(OC(C)=O)ccc2c1
InChIInChI=1S/C15H14O4/c1-9-6-12(15(17)18-3)7-11-4-5-13(8-14(9)11)19-10(2)16/h4-8H,1-3H3
InChIKeyYWQOEGCISFLIHE-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 3,5-diacetyloxybenzoate
CID 7474700
methyl 4-acetyloxy-6-bromonaphthalene-2-carboxylate
CID 73013760
methyl 3-acetyloxybenzoate
CID 577969
(4-hydroxy-3-methylphenyl) 6-acetyloxynaphthalene-2-carboxylate
CID 143504354
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
(6-methylnaphthalen-2-yl) 4-methylnaphthalene-2-carboxylate
CID 70139674
methyl 2,5-diacetyloxy-3-methylbenzoate
CID 156852348
[4-[4-[4-(4-acetyloxy-3,5-dimethylbenzoyl)phenoxy]benzoyl]-2,6-dimethylphenyl] acetate
CID 23454592
methyl 3-acetyloxy-5-propan-2-yloxybenzoate
CID 174646225
methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
CID 9349702
methyl 6-acetyloxyquinoline-2-carboxylate
CID 90723488
methyl 3,4,5-triacetyloxybenzoate
CID 10924932

Frequently Asked Questions

What is the IUPAC name of methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate?
The IUPAC name of methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate (CID 155685944) is methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate is COC(=O)c1cc(C)c2cc(OC(C)=O)ccc2c1.
What is the InChIKey of methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate?
The InChIKey is YWQOEGCISFLIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-9-6-12(15(17)18-3)7-11-4-5-13(8-14(9)11)19-10(2)16/h4-8H,1-3H3.
What are the key properties of methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate?
methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate has a molecular weight of 258.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate is sourced from PubChem (CID 155685944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).